SCHEMBL10166039

SCHEMBL10166039

CCCC(NC(C)C)C(=O)C(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC7 Q8WUI4 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ HDAC9 Q9UKV0 1/20 0.35
▸ HDAC5 Q9UQL6 1/20 0.35
▸ CHRM1 P11229 1/20 0.34
▸ AKR1A1 P14550 1/20 0.34
▸ CHRM3 P20309 1/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ ADRA1A P35348 1/20 0.34
▸ HRH1 P35367 1/20 0.34
▸ DRD3 P35462 1/20 0.34
▸ SLC6A3 Q01959 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ TSHR P16473 3/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ NFKB1 P19838 2/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL24221392 1.00 HDAC7 (0.35) HDAC7HDAC8HDAC6HDAC9HDAC5
SCHEMBL18494887 0.88 CTSK (0.43) CTSKMEN1FAAHMAPK1KMT2A
SCHEMBL17806174 0.88 CTSK (0.43) CTSKMEN1FAAHMAPK1KMT2A
SCHEMBL25460712 0.88 CTSK (0.43) CTSKMEN1FAAHMAPK1KMT2A
SCHEMBL17806162 0.86 CA1 (0.42) CTSKMEN1FAAHMAPK1KMT2A
SCHEMBL16689672 0.86 CA1 (0.42) CTSKMEN1FAAHMAPK1KMT2A
SCHEMBL10206348 0.84 HDAC7 (0.37) HDAC7HDAC8HDAC6HDAC9HDAC5
SCHEMBL19361725 0.83 GCLC (0.30) —
SCHEMBL18494037 0.83 CA1 (0.33) MEN1KMT2ARAB9A
SCHEMBL19371532 0.83 CA1 (0.33) MEN1KMT2ARAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9029359-B2 Heteroaryl Btk inhibitors BIOGEN IDEC MA, INC. (US) 2015-05-12 — — US disclosed
US-20120157442-A1 HETEROARYL BTK INHIBITORS SUNESIS PHARMACEUTICALS, INC. (US) 2012-06-21 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120157442-A1 HETEROARYL BTK INHIBITORS BTK, LYN, SYK HDAC7 2320/4885HDAC8 2699/4885HDAC6 877/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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